Geometry & MOs

Info

ID:	233535
PubChem CID:	91145358
Reduced:	S2H13C16 (2)
Stoich.:	A2B13C16 (2)
Weight, g/mol:	459.162806
ΔH_f, kcal/mol:	154.14
Dipole, Da:	0.88
IP(EA), eV:	-7.89(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(4-fluoroindol-1-yl)propanoylamino]phenyl]sulfonyl-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CCC(C)(C1=CC2=C(S1)C(=C3C=CSC3=C2C)C)C4=CC5=C(S4)C(=C6C=CSC6=C5C#CC)C#CC

DOS

IR

Vibrations